N-[7-amino-1-[5-[4-(1-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide

C24H26N6O3S — CID 123899024

IUPACN-[7-amino-1-[5-[4-(1-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESCn1ccc(-c2ccc(-c3cnc(C(CCCCCC(N)=O)NC(=O)c4cncs4)o3)cc2)n1
InChIInChI=1S/C24H26N6O3S/c1-30-12-11-18(29-30)16-7-9-17(10-8-16)20-13-27-24(33-20)19(5-3-2-4-6-22(25)31)28-23(32)21-14-26-15-34-21/h7-15,19H,2-6H2,1H3,(H2,25,31)(H,28,32)
InChIKeyPAUSVKIKEKIUTR-UHFFFAOYSA-N
MW478.58 g/mol
LogP4.11
Rot. Bonds11

About N-[7-amino-1-[5-[4-(1-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide

N-[7-amino-1-[5-[4-(1-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide (PubChem CID 123899024) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is N-[7-amino-1-[5-[4-(1-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[7-amino-1-[5-[4-(1-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide
PubChem CID123899024
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC NameN-[7-amino-1-[5-[4-(1-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESCn1ccc(-c2ccc(-c3cnc(C(CCCCCC(N)=O)NC(=O)c4cncs4)o3)cc2)n1
InChIInChI=1S/C24H26N6O3S/c1-30-12-11-18(29-30)16-7-9-17(10-8-16)20-13-27-24(33-20)19(5-3-2-4-6-22(25)31)28-23(32)21-14-26-15-34-21/h7-15,19H,2-6H2,1H3,(H2,25,31)(H,28,32)
InChIKeyPAUSVKIKEKIUTR-UHFFFAOYSA-N
XLogP4.11
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[3-[5-methyl-4-[[(2-pyrazol-1-ylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
CID 42376068
1-benzyl-5-[3-(5-methyl-2-furyl)butyl]-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45163752
2-fluoro-N-[2-[1-methyl-3-(1,3-oxazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide
CID 68062254
2,6-difluoro-N-[2-[1-methyl-3-(1,3-oxazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide
CID 68062258
N-(4-{5-methyl-4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,3-oxazol-2-yl}phenyl)thiophene-2-carboxamide
CID 71837370
N-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-2-ethynyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 171484078
[2-(1-Methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55818098
3-(2,4-difluorophenyl)-1-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
CID 86948075
2-(2,4-Dimethyl-1,3-thiazol-5-yl)-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 133819663
N-[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethyl]-5-(4-fluorophenyl)-1,3-oxazole-2-carboxamide
CID 165061632
N-[2-(4-{[[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino]methyl}-5-methyl-1,3-oxazol-2-yl)phenyl]-3-thiophenecarboxamide
CID 26280704
5-((5-methyl-2-(p-tolyl)oxazol-4-yl)methyl)-2-(thiophen-2-yl)pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 53043148

Frequently Asked Questions

What is the IUPAC name of N-[7-amino-1-[5-[4-(1-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[7-amino-1-[5-[4-(1-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide (CID 123899024) is N-[7-amino-1-[5-[4-(1-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[7-amino-1-[5-[4-(1-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[7-amino-1-[5-[4-(1-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide is Cn1ccc(-c2ccc(-c3cnc(C(CCCCCC(N)=O)NC(=O)c4cncs4)o3)cc2)n1.
What is the InChIKey of N-[7-amino-1-[5-[4-(1-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PAUSVKIKEKIUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-30-12-11-18(29-30)16-7-9-17(10-8-16)20-13-27-24(33-20)19(5-3-2-4-6-22(25)31)28-23(32)21-14-26-15-34-21/h7-15,19H,2-6H2,1H3,(H2,25,31)(H,28,32).
What are the key properties of N-[7-amino-1-[5-[4-(1-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
N-[7-amino-1-[5-[4-(1-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide has a molecular weight of 478.58 g/mol, XLogP of 4.11, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-amino-1-[5-[4-(1-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 123899024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).